2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine

C20H18N4 — CID 52943986

IUPAC2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H18N4/c21-20(22)24-23-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H4,21,22,24)/b14-13+,23-19-
InChIKeySCHOZGHJKVEIKJ-BWCGUBBZSA-N
MW314.39 g/mol
LogP3.53
Rot. Bonds4

About 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine (PubChem CID 52943986) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine
PubChem CID52943986
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H18N4/c21-20(22)24-23-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H4,21,22,24)/b14-13+,23-19-
InChIKeySCHOZGHJKVEIKJ-BWCGUBBZSA-N
XLogP3.53
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine (CID 52943986) is 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is SCHOZGHJKVEIKJ-BWCGUBBZSA-N. The full InChI is InChI=1S/C20H18N4/c21-20(22)24-23-19(17-8-2-1-3-9-17)14-13-16-11-6-10-15-7-4-5-12-18(15)16/h1-14H,(H4,21,22,24)/b14-13+,23-19-.
What are the key properties of 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 314.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52943986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).